diff options
Diffstat (limited to 'sci-chemistry')
| -rw-r--r-- | sci-chemistry/Manifest.gz | bin | 9691 -> 9686 bytes | |||
| -rw-r--r-- | sci-chemistry/autodock/Manifest | 2 | ||||
| -rw-r--r-- | sci-chemistry/autodock/autodock-4.2.6.ebuild | 38 |
3 files changed, 16 insertions, 24 deletions
diff --git a/sci-chemistry/Manifest.gz b/sci-chemistry/Manifest.gz Binary files differindex 5718981a9189..7ee0175688d6 100644 --- a/sci-chemistry/Manifest.gz +++ b/sci-chemistry/Manifest.gz diff --git a/sci-chemistry/autodock/Manifest b/sci-chemistry/autodock/Manifest index 3c54d983af4c..0d730f7dbef4 100644 --- a/sci-chemistry/autodock/Manifest +++ b/sci-chemistry/autodock/Manifest @@ -1,4 +1,4 @@ AUX autodock-4.2.6-buildsystem.patch 1480 BLAKE2B 3f1884ee05e062cb630b43fe3e8ecf6f827ada23d5d3060a5bb3d7e854f7c5e2d2b1f7a476c4effcdcbab4292b33fae093474773a31a6995465d00dbbb721246 SHA512 9c5b05f4831049c2c064358df26124526973110ddd31ffa7930f185694f9258dfce648085a96f05a2173aa61b4cdcda7a6fe170a56160708e031fb248f9e6bbe DIST autodocksuite-4.2.6-src.tar.gz 35438010 BLAKE2B 88e036ecc0492fb83f31b90fd0983ec57d889a61d17249f672a3e30e942f6c329dc2494088a8fc7c5bc39a5bdbb38fb1514f1750c7145374f202a928d477faa9 SHA512 75b8878f948c4f6bc28adb442997192dad0c36bbede2fd698623903cb27b06b4df3ba038bfc70fc13b4bdee864fd2344f0f7208be2020da4e01a00b842b46bbb -EBUILD autodock-4.2.6.ebuild 2337 BLAKE2B 3302c9d3690f3faf97ef2265512de2c31b0b83752ed92375ecc822e42125eb50324a97197131b5280c71e1a165d1052f4250d06ed412d0b86034464168e9ef49 SHA512 3f215c0d54059f77da1623a9d5602e81e652d84382b327c3deee86f8cdb2d5392476d62288452881977f1582fa36474c648e7e519b5cf7fd7d1a926778697941 +EBUILD autodock-4.2.6.ebuild 2206 BLAKE2B 0e457f425fac2908df23e03bf31865e985b0fdb85bdc2014e10bcbef1a00dbbf957b986eda9e7d9cce443cd9bbb1a8118076f3b7e3990eb02c86c559566c9bb3 SHA512 aef41ca8df16042995b25b6a3a07bb207fae458e60b97ec5d1b6918944540b500d9cf798cda52a8f2e12a2a6e9c5531e4565c03bc49a8e4210df1d96aec56102 MISC metadata.xml 272 BLAKE2B 531e98b72776bbe9126811b70943add0f6f43141b01cb75b17ac2c8d1cfb6a9b349022fd411894d2b8eeb0612a73db10aed4ba71f9624bd6dbd172a05fca2c76 SHA512 04f5575703aaaa95e575460ae3de428d3da173b3b741ab52b4aad31e381fef78b325f49f99622ec26a65024437759ea013fc525bd63ee553003c71afcc40d10c diff --git a/sci-chemistry/autodock/autodock-4.2.6.ebuild b/sci-chemistry/autodock/autodock-4.2.6.ebuild index b4dce2e439b4..ba012304d26e 100644 --- a/sci-chemistry/autodock/autodock-4.2.6.ebuild +++ b/sci-chemistry/autodock/autodock-4.2.6.ebuild @@ -1,12 +1,9 @@ -# Copyright 1999-2020 Gentoo Authors +# Copyright 1999-2023 Gentoo Authors # Distributed under the terms of the GNU General Public License v2 EAPI=7 -# Tests require python2 -#PYTHON_COMPAT=( python2_7 ) - -inherit autotools readme.gentoo-r1 #python-any-r1 +inherit autotools readme.gentoo-r1 MY_PN="autodocksuite" MY_P="${MY_PN}-${PV}" @@ -14,23 +11,18 @@ MY_P="${MY_PN}-${PV}" DESCRIPTION="A suite of automated docking tools" HOMEPAGE="http://autodock.scripps.edu/" SRC_URI="http://autodock.scripps.edu/downloads/autodock-registration/tars/dist$(ver_rs 1- '')/${MY_P}-src.tar.gz" +S="${WORKDIR}/src" LICENSE="GPL-2" SLOT="0" KEYWORDS="~amd64 ~x86" - -IUSE="examples openmp" #test -#RESTRICT="!test? ( test )" +IUSE="examples openmp" +# Tests require python2 +RESTRICT="test" # False positives caused by nested configure scripts QA_CONFIGURE_OPTIONS=".*" -RDEPEND="" -DEPEND="" -#DEPEND="test? ( ${PYTHON_DEPS} )" - -S="${WORKDIR}/src" - DISABLE_AUTOFORMATTING="yes" DOC_CONTENTS=" The AutoDock development team requests all users to fill out the @@ -76,15 +68,15 @@ src_compile() { emake -C autogrid } -#src_test() { -# elog "Testing autodock" -# cd "${S}/autodock/Tests" || die -# cp ../*.dat . || die -# ${EPYTHON} test_autodock4.py || die "AutoDock tests failed." -# einfo "Testing autogrid" -# cd "${S}/autogrid/Tests" || die -# ${EPYTHON} test_autogrid4.py || die "AutoGrid tests failed." -#} +src_test() { + elog "Testing autodock" + cd "${S}/autodock/Tests" || die + cp ../*.dat . || die + ${EPYTHON} test_autodock4.py || die "AutoDock tests failed." + einfo "Testing autogrid" + cd "${S}/autogrid/Tests" || die + ${EPYTHON} test_autogrid4.py || die "AutoGrid tests failed." +} src_install() { if use openmp; then |